Structure of PDB 9fp6 Chain E Binding Site BS01

Receptor Information
>9fp6 Chain E (length=732) Species: 4100 (Nicotiana benthamiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKDSAESLLQDLNDFNAFLKQTAKSRTENDVHKELVKKIKTVVNSAEDAI
DKFVIEAKLVYDVAGEIKTIRDKVKEIRLNNALDLQALQRKPPVVEEDDV
VGFEEEADKVINRLLGGSSGLEVVPVVGMPGLGKTTLANKIYKHPDIGYQ
FFTRIWVYVSQSYRRRELFLNIISKFTRNTKQYHDMCEEDLADEIEDFLG
KGGKYLIVLDDVWSPDAWERIRIAFPNNNKSNRILLTTRDSKVAKPHDLK
FLTEDESWILLEKKVFHELSGKSIAKKCNGLPLAIVVIAGALIGKGKTSR
EWKQVDCNKLVQLSYDRLSYDLKACFLYCGAFPGGFEIPAWKLIRLWIAE
GFISLECKAEDNLNDLINRNLVMVMQRTSDGQIKTCRLHDMLHEFCRQEA
MKEENLFQEIFPGKRELATYRRLCIHSSVLEFISTKPSGEHVRSFLSFSL
KKIEMPSVDIPTIPKGFPLLRVFDVESINFSRFSKEFFQLYHLRYIAFSS
DTIKIIPKHIGELWNIQTLIINTQQRSLDIQANIWNMERLRHLHTNSSAK
LPVQSLQTLSTIAPESCTEEVFARTPNLKKLGIRGKIAVLVKKLESLENL
KLINRLPPSYIFPTKLRKLSLVDTWNDMSILGQMEHLEVLKLKENGFMGE
CWESVGGFCSLLVLWIERTDLVSWKASADHFPRLKHLVLICCIPIGLADI
RSFQVMELQNSTKTAAISARGIRDKGFKLSIF
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain9fp6 Chain E Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9fp6 Cryo-EM structure of the NbNRC2 hexameric resistosome
Resolution2.9 Å
Binding residue
(original residue number in PDB)		V149 E150 V154 V155 F157 G185 G187 K188 T189 T190 R293 L322 P352
Binding residue
(residue number reindexed from 1)		V95 E96 V100 V101 F103 G131 G133 K134 T135 T136 R239 L260 P282
Annotation score4
Gene Ontology
Biological Process
GO:0006952 defense response
GO:0051707 response to other organism
GO:0098542 defense response to other organism

View graph for
Biological Process
External links
PDB RCSB:9fp6, PDBe:9fp6, PDBj:9fp6
PDBsum9fp6
PubMed
UniProtA0A0S3ANR1

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